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CAS 1025718-91-5 3-(METHOXYCARBONYL)PYRIDINE-5-BORONIC ACID, PINACOL ESTER molecular structure lightbox
CAS RN: 1025718-91-5

3-(METHOXYCARBONYL)PYRIDINE-5-BORONIC ACID, PINACOL ESTER

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250924 1g In stock Shanghai, Chengdu Inquiry
Batchno.20260116 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250711 25g In stock Shanghai Inquiry
Batchno.20260601 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-003830
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g
  • Available purity: ≥98%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1025718-91-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥98% 1 In Stock Shenzhen Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry

1025718-91-5 / methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate

3-(METHOXYCARBONYL)PYRIDINE-5-BORONIC ACID, PINACOL ESTER | RefChem:495402 | 640-819-6

Standard CAS: 1025718-91-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1025718-91-5
Multi CAS
Yes
Molecular Formula
C13H18BNO4
Molecular Weight
263.100000
Exact Mass
263.132888
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)C(=O)OC
InChI
InChI=1S/C13H18BNO4/c1-12(2)13(3,4)19-14(18-12)10-6-9(7-15-8-10)11(16)17-5/h6-8H,1-5H3
InChIKey
FJOJOCXHLGXEQA-UHFFFAOYSA-N
Synonyms
3-(METHOXYCARBONYL)PYRIDINE-5-BORONIC ACID, PINACOL ESTER RefChem:495402 640-819-6 Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
71.29
TPSA
57.65

LogP / Solubility

WLOGP
1.17
MLOGP
1.03
XLogP3
1.17
Consensus LogP
1.12
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (60%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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